2-cyclopropyl-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide

C18H18FN3O2 — CID 146589899

IUPAC2-cyclopropyl-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(C2CC2)c(F)c1)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C18H18FN3O2/c19-14-7-10(1-6-13(14)11-2-3-11)9-20-18(24)15-8-16(23)22-17(21-15)12-4-5-12/h1,6-8,11-12H,2-5,9H2,(H,20,24)(H,21,22,23)
InChIKeyPXBAKLOPYDUOBU-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.59
Rot. Bonds5

About 2-cyclopropyl-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide

2-cyclopropyl-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 146589899) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID146589899
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-cyclopropyl-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(C2CC2)c(F)c1)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C18H18FN3O2/c19-14-7-10(1-6-13(14)11-2-3-11)9-20-18(24)15-8-16(23)22-17(21-15)12-4-5-12/h1,6-8,11-12H,2-5,9H2,(H,20,24)(H,21,22,23)
InChIKeyPXBAKLOPYDUOBU-UHFFFAOYSA-N
XLogP2.59
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-6-oxo-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-1H-pyrimidine-4-carboxamide
CID 154876512
2-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 138004806
2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide
CID 167759812
2-cyclopropyl-N-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 167970440
2-cyclopropyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 138005065
2-cyclopropyl-N-(2-imidazol-1-ylethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 167849047
2-cyclopropyl-N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 154836655
2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154865335
2-cyclopropyl-N-[2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982838
2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 167945533
2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide
CID 136982709
2-cyclopropyl-N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982737

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 146589899) is 2-cyclopropyl-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide is O=C(NCc1ccc(C2CC2)c(F)c1)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is PXBAKLOPYDUOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-14-7-10(1-6-13(14)11-2-3-11)9-20-18(24)15-8-16(23)22-17(21-15)12-4-5-12/h1,6-8,11-12H,2-5,9H2,(H,20,24)(H,21,22,23).
What are the key properties of 2-cyclopropyl-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 146589899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).